Geometry & MOs

Info

ID:	270217
PubChem CID:	103635202
Reduced:	BrO2N4C13H15 (1)
Stoich.:	AB2C4D13E15 (1)
Weight, g/mol:	221.12766
ΔH_f, kcal/mol:	-6.26
Dipole, Da:	3.35
IP(EA), eV:	-9.02(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1-methylimidazol-2-yl)methyl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)ethanamine

Drug info:

PubChemData

Smile

CC1=NC(=NO1)CCNCC(=O)NC2=CC=CC=C2Br

DOS

IR

Vibrations